Chem
J-GLOBAL ID：200907031685121215   Nikkaji number：J2.256.758F

(αS)-α-Hydroxy-8-oxylato-1(11H)-oxo-α-ethyl-2-(hydroxymethyl)-9-(dimethylaminiomethyl)-5,11a-diaza-11aH-benzo[b]fluorene-3-acetic acid anion

(2S)-2-{1-[(ジメチルアザニウミル)メチル]-8-(ヒドロキシメチル)-2-オキシド-9-オキソ-9H,11H-インドリジノ[1,2-b]キノリン-7-イル}-2-ヒドロキシブタノアート
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C23H24N2[N+]O4[O-]2
Molecular formula furigana： C23-H24-N3-O6
Molecular weight： 438.461
InChI： InChI=1S/C23H25N3O6/c1-4-23(32,22(30)31)16-8-18-20-12(9-26(18)21(29)15(16)11-27)7-13-14(10-25(2)3)19(28)6-5-17(13)24-20/h5-8,27-28,32H,4,9-11H2,1-3H3,(H,30,31)/p-1/t23-/m0/s1
InChI key： DPQJTQJZJNYUEC-QHCPKHFHSA-M
SMILES： CC[C@@](O)(C(=O)[O-])c1cc2c3nc4ccc([O-])c(C[NH+](C)C)c4cc3Cn2c(=O)c1CO
Systematic name  (3)：
  • (αS)-α-ヒドロキシ-8-オキシラト-1(11H)-オキソ-α-エチル-2-(ヒドロキシメチル)-9-(ジメチルアミニオメチル)-5,11a-ジアザ-11aH-ベンゾ[b]フルオレン-3-酢酸アニオン
  • (2S)-2-{1-[(ジメチルアザニウミル)メチル]-8-(ヒドロキシメチル)-2-オキシド-9-オキソ-9H,11H-インドリジノ[1,2-b]キノリン-7-イル}-2-ヒドロキシブタノアート
  • (2S)-2-{1-[(dimethylazaniumyl)methyl]-8-(hydroxymethyl)-2-oxido-9-oxo-9H,11H-indolizino[1,2-b]quinolin-7-yl}-2-hydroxybutanoate
Other name (1)：
  • (αS)-α-Hydroxy-8-oxylato-1(11H)-oxo-α-ethyl-2-(hydroxymethyl)-9-(dimethylaminiomethyl)-5,11a-diaza-11aH-benzo[b]fluorene-3-acetic acid anion
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